2-Thiophenecarbonitrile
TL;DR: 2-Thiophenecarbonitrile (CAS 1003-31-2) is a chemical compound with molecular formula C5H3NS and molecular weight 108.99862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thiophene-2-carbonitrile
Also Known As: 2-Thiophenecarbonitrile, Thiophene-2-carbonitrile, 2-Cyanothiophene, 2-thenonitrile, 2-Thenylcyanide
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H3NS |
| Molecular Weight | 108.99862 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.99862 Da |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
| SMILES | C1=CSC(=C1)C#N |
| InChIKey | CUPOOAWTRIURFT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Thiophenecarbonitrile
Property Insights of 2-Thiophenecarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarbonitrile. With a topological polar surface area (TPSA) of 52.0 Ų, 2-Thiophenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Thiophenecarbonitrile?
The CAS number of 2-Thiophenecarbonitrile is 1003-31-2.
What is the molecular formula of 2-Thiophenecarbonitrile?
The molecular formula of 2-Thiophenecarbonitrile is C5H3NS.
What is the molecular weight of 2-Thiophenecarbonitrile?
The molecular weight of 2-Thiophenecarbonitrile is 108.99862 g/mol.
Where can I buy 2-Thiophenecarbonitrile?
You can request a quote for 2-Thiophenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Thiophenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.